Shockwave generates &lt; 100 &gt; dislocation loops in bcc iron

Peng, Qing; Meng, Fanjiang; Yang, Yongjian; Lu, Chenyang; Deng, Hui; Wang, Lumin; De, Suvranu; Gao, Fei

doi:10.1038/s41467-018-07102-3

Cited by 126 publications

(66 citation statements)

References 45 publications

Supporting

Mentioning

Contrasting

Unclassified

Order By: Relevance

“…From 2 ps to 20 ps, the RDF curves almost never change and show that the damage has formed a stable structure. This result is in agreement with ~ 2 ps in a different material [23]. Interstitial atoms only possess local rearrangements, without much change in their positions from 2 ps.…”

Section: Silicon Target Surface Damage During Energetic Cluster Ion Isupporting

confidence: 90%

Molecular Dynamics Simulations of Vacancy Generation and Migration near a Monocrystalline Silicon Surface during Energetic Cluster Ion Implantation

et al. 2020

View full text Add to dashboard Cite

The process of ion implantation often involves vacancy generation and migration. The vacancy generation and migration near a monocrystalline silicon surface during three kinds of energetic Si35 cluster ion implantations were investigated by molecular dynamics simulations in the present work. The patterns of vacancy generation and migration, as well as the implantation-induced amorphous structure, were analyzed according to radial distribution function, Wigner–Seitz cell, and identify diamond structure analytical methods. A lot of vacancies rapidly generate and migrate in primary directions and form an amorphous structure in the first two picoseconds. The cluster with higher incident kinetic energy can induce the generation and migration of more vacancies and a deeper amorphous structure. Moreover, boundaries have a loading–unloading effect, where interstitial atoms load into the boundary, which then acts as a source, emitting interstitial atoms to the target and inducing the generation of vacancies again. These results provide more insight into doping silicon via ion implantation.

show abstract

Section: Silicon Target Surface Damage During Energetic Cluster Ion Isupporting

confidence: 90%

Molecular Dynamics Simulations of Vacancy Generation and Migration near a Monocrystalline Silicon Surface during Energetic Cluster Ion Implantation

et al. 2020

View full text Add to dashboard Cite

show abstract

“…As well established, the method of MD simulations are widely used for various investigations [15]. Here all of our MD simulations were conducted on the platform of LAMMPS [16].…”

Section: Simulation Methodsmentioning

confidence: 99%

Magic auxeticity angle of graphene

Hou

Deng

Zhu

et al. 2019

Carbon

Self Cite

View full text Add to dashboard Cite

Solids exhibit transverse shrinkage when they are stretched, except auxetics that abnormally demonstrate lateral expansion instead. Graphene possesses the unique normal-auxeticity (NA) transition when it is stretched along the armchair direction but not along the zigzag direction. Here we report on the anisotropic temperature-dependent NA transitions in strained graphene using molecular dynamics simulations. The critical strain where the NA transition occurs increases with respect to an increase in the tilt angle deviating from armchair direction upon uniaxial loading. The magic angle for the NA transition is 10.9 • , beyond which the critical strain is close to fracture strain. In addition, the critical strain decreases with an increasing temperature when the tilt angle is smaller than the NA magic angle. Our results shed lights on the unprecedented nonlinear dimensional response of graphene to the large mechanical loading at various temperatures.

show abstract

“…MD method was widely used in many fields [29,30]. All studies in this paper were performed by MD simulations based on the Large-scale Atomic/Molecular Massively Parallel Simulator (LAMMPS) package [31].…”

Section: Methodsmentioning

confidence: 99%

Effect of Angle, Temperature and Vacancy Defects on Mechanical Properties of PSI-Graphene

Xie

Sun

et al. 2019

Crystals

Self Cite

View full text Add to dashboard Cite

The PSI-graphene, a two-dimensional structure, was a novel carbon allotrope. In this paper, based on molecular dynamics simulation, the effects of stretching direction, temperature and vacancy defects on the mechanical properties of PSI-graphene were studied. We found that when PSI-graphene was stretched along 0° and 90° at 300 K, the ultimate strength reached a maximum of about 65 GPa. And when stretched along 54.2° and 155.2° at 300 K, the Young’s modulus had peaks, which were 1105 GPa and 2082 GPa, respectively. In addition, when the temperature was raised from 300 K to 900 K, the ultimate strength in all directions was reduced. The fracture morphology of PSI-graphene stretched at different angles was also shown in the text. In addition, the number of points removed from PSI-graphene sheet also seriously affected the tensile properties of the material. It was found that, compared with graphene, PSI-graphene didn’t have the negative Poisson’s ratio phenomenon when it was stretched along the direction of 0°, 11.2°, 24.8° and 34.7°. Our results provided a reference for studying the multi-angle stretching of other carbon structures at various temperatures.

show abstract

Shockwave generates < 100 > dislocation loops in bcc iron

Cited by 126 publications

References 45 publications

Molecular Dynamics Simulations of Vacancy Generation and Migration near a Monocrystalline Silicon Surface during Energetic Cluster Ion Implantation

Molecular Dynamics Simulations of Vacancy Generation and Migration near a Monocrystalline Silicon Surface during Energetic Cluster Ion Implantation

Magic auxeticity angle of graphene

Effect of Angle, Temperature and Vacancy Defects on Mechanical Properties of PSI-Graphene

Contact Info

Product

Resources

About